REMARK  Name = BDB047350
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.215   0.814  -0.347  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -0.194  -0.611  -2.326  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.278   0.463  -1.751  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.804   1.525  -2.403  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.063   1.148  -3.271  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.779  -0.317   0.335  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.134  -0.388   0.179  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.972   0.381   0.986  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        4.356   0.271   0.842  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        4.887  -0.618  -0.094  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        6.593  -0.752  -0.271  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        4.045  -1.403  -0.883  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        2.661  -1.294  -0.738  0.00  0.00    +0.047 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  14
ATOM     14  C   LIG    1       -0.914   1.399   0.519  0.00  0.00    +0.091 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.162   0.549   0.613  0.00  0.00    -0.043 A 
ATOM     16  C   LIG    1       -3.328   0.923  -0.070  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.480   0.139   0.010  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.479  -1.027   0.773  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.326  -1.408   1.457  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -2.174  -0.624   1.379  0.00  0.00    +0.004 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6